Basic information
- CAS
89455-16-3- Standard SMILES
O=[N+]([O-])c1cccc2ccc3c4ccccc4ccc3c12- InChIKey
UIXODYUOGZNODG-UHFFFAOYSA-N- Molecular formula
- C18H11NO2
- Average molar mass
- 273.3 g/mol
- Monoisotopic mass
- 273.07897859
Names & identifiers
- Preferred name
- Chrysene, 4-nitro-
- IUPAC
- 4-nitrochrysene
- English name
- 4-NITROCHRYSENE
- Molecular formula
- C18H11NO2
- Molecular weight
- 0
Names & synonyms
4-NitrochryseneChrysene, 4-nitro-89455-16-3DTXSID70237720RefChem:334121DTXCID20160211
Database identifiers
- CAS
89455-16-3- PubChem CID
- 190096
- DTXSID
DTXSID70237720- Nikkaji
- J532.680J
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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